SCHEMBL3066951

SCHEMBL3066951

C[C@@H]1CN(c2cc(F)c(C#Cc3cncs3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
USP30 Q70CQ3 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3052401 0.84 KDM4E (0.32) KDM4EHTT
SCHEMBL3052119 0.83 ERN1 (0.37) KDM4EHTTPDE3BPDE3AUSP30
SCHEMBL3062566 0.82 KDM4E (0.39) KDM4EHTTPDE3BPDE3AUSP30
SCHEMBL3070501 0.81 KDM4E (0.42) KDM4EHTTPDE3BPDE3AUSP30
SCHEMBL3069860 0.80 HTT (0.44) KDM4EHTTPDE3BPDE3AUSP30
SCHEMBL3068291 0.80 KDM4E (0.44) KDM4EHTTPDE3BPDE3AUSP30
SCHEMBL3063518 0.80 KDM4E (0.32) KDM4EHTTPDE3BPDE3A
SCHEMBL3066971 0.79 KDM4E (0.44) KDM4EHTTPDE3BPDE3AUSP30
SCHEMBL3068016 0.79 ERN1 (0.40) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL3068282 0.78 KDM4E (0.39) KDM4EHTTPDE3BPDE3AUSP30

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885HTT 2271/4885PDE3B 1185/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.